ChemDB: Chemical Search
Download
Chemical ID: 6009020
Chemical ID:
6009020
Name [?]:
N-(cyclohexylmethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C21H24F3N3O2S/c1-14-13-30-20(25-14)26-18(28)12-27(11-15-5-3-2-4-6-15)19(29)16-7-9-17(10-8-16)21(22,23)24/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,22,26,23,25,12,10,3,2,13,21,24,8,19,5,27,28,29,30,6,7,11,9,20,4/E:(3,4)(5,6)(7,8)(9,10)(22,23,24)/rA:30nCCCSCNNCOCNCCCCCCCCOCCCCCCCFFF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24F3N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1244 |
Area: | 625.788 |
Solvation: | -4.52028 |
Coulombic: | -62.0492 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.48 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|